[2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

C13H17NO3S — CID 2432541

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C13H17NO3S/c1-9-6-7-18-12(9)13(16)17-8-11(15)14-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,14,15)
InChIKeyIQYQIOBMFMNFKT-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.27
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2432541) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2432541
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C13H17NO3S/c1-9-6-7-18-12(9)13(16)17-8-11(15)14-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,14,15)
InChIKeyIQYQIOBMFMNFKT-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2432541) is [2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is IQYQIOBMFMNFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9-6-7-18-12(9)13(16)17-8-11(15)14-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,14,15).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2432541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).